[1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine

C11H13BrFN — CID 163371263

IUPAC[1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine
SMILESCC1C(F)C1(CN)c1cccc(Br)c1
InChIInChI=1S/C11H13BrFN/c1-7-10(13)11(7,6-14)8-3-2-4-9(12)5-8/h2-5,7,10H,6,14H2,1H3
InChIKeyMYPHLYJEKJLMQX-UHFFFAOYSA-N
MW258.13 g/mol
LogP2.63
Rot. Bonds2

About [1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine

[1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine (PubChem CID 163371263) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is [1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine
PubChem CID163371263
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name[1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine
SMILESCC1C(F)C1(CN)c1cccc(Br)c1
InChIInChI=1S/C11H13BrFN/c1-7-10(13)11(7,6-14)8-3-2-4-9(12)5-8/h2-5,7,10H,6,14H2,1H3
InChIKeyMYPHLYJEKJLMQX-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine
CID 65017119
3-(aminomethyl)-3-(3-bromophenyl)cyclobutan-1-one
CID 64906897
[2-(3-bromophenyl)azetidin-2-yl]methanamine
CID 115059263
1-bromo-3-(1,3-dimethylcyclobutyl)benzene
CID 169179342
1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 83488510
3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol
CID 115052156
[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine
CID 65003118
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
CID 115053306
methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate
CID 116843024
2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
CID 115050602
1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene
CID 170948533

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine?
The IUPAC name of [1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine (CID 163371263) is [1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine.
What is the SMILES notation for [1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine?
The canonical SMILES for [1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine is CC1C(F)C1(CN)c1cccc(Br)c1.
What is the InChIKey of [1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine?
The InChIKey is MYPHLYJEKJLMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-7-10(13)11(7,6-14)8-3-2-4-9(12)5-8/h2-5,7,10H,6,14H2,1H3.
What are the key properties of [1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine?
[1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine has a molecular weight of 258.13 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine is sourced from PubChem (CID 163371263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).